input word = C00053932

Metabolite InformationStructural formula
Name Cadabicine glucoside
Formula C31H39N3O9
Mw 597.26862987
CAS RN 1207167-84-7
C_ID C00053932
InChIKey LAWDUIUNYVYPHQ-KHFOODSBSA-N
InChICode InChI=1S/C31H39N3O9.ClH/c35-19-25-28(38)29(39)30(40)31(43-25)42-23-11-6-21-8-13-27(37)33-16-2-1-14-32-15-3-17-34-26(36)12-7-20-4-9-22(10-5-20)41-24(23)18-21;/h4-13,18,25,28-32,35,38-40H,1-3,14-17,19H2,(H,33,37)(H,34,36);1H/b12-7+,13-8+;/t25-,28-,29+,30-,31-;/m1./s1
SMILES O=C(NCCCNCCCCNC(/C=C/1)=O)/C=C/C(C=C2)=CC=C2OC3=CC1=CC=C3O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4.Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis spinosa Ref.
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